N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide
Chemical Structure Depiction of
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide
Compound characteristics
| Compound ID: | Y043-6081 |
| Compound Name: | N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C22 H22 N6 O5 |
| Smiles: | COc1ccc(c(c1)OC)c1nc(NC(CCC2C(Nc3ccccc3C(N2)=O)=O)=O)n[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3318 |
| logD: | 2.3044 |
| logSw: | -3.1681 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.193 |
| InChI Key: | ZDWBLVQYJMYAKP-INIZCTEOSA-N |